| CAS Number | 951652-82-7 |
| Catalog Number | AG00JSLW(AGN-PC-0WOL0F) |
| Chemical Name | 2-Chloro-5-(chloromethyl)-3-fluoropyridine |
| IUPAC Name | 2-chloro-5-(chloromethyl)-3-fluoropyridine |
| InChI | InChI=1S/C6H4Cl2FN/c7-2-4-1-5(9)6(8)10-3-4/h1,3H,2H2 |
| InChI Key | DGKPTNFDTFHUFN-UHFFFAOYSA-N |
| MDL Number | MFCD15523643 |
| Molecular Formula | C6H4Cl2FN |
| Molecular Weight | 180.0071 |
| SMILES | C1=C(CCl)C=NC(=C1F)Cl |
| Synonyms | 951652-82-7,
2-CHLORO-5-(CHLOROMETHYL)-3-FLUOROPYRIDINE,
SCHEMBL487436,
DGKPTNFDTFHUFN-UHFFFAOYSA-N,
MFCD15523643,
ZINC95761839,
AB70665,
2-chloro-5-chloromethyl-3-fluoropyridine,
6-chloro-3-chloromethyl-5-fluoropyridine,
SC-25376,
Pyridine, 2-chloro-5-(chloromethyl)-3-fluoro-,
PYRIDINE,2-CHLORO-5-(CHLOROMETHYL)-3-FLUORO-,
2-chloro-5-(chloromethyl)-3-fluoropyridine, 95% - 1G 1g,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.003g/mol |
| Monoisotopic Mass | 178.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number